[1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride

C17H18ClN3OS — CID 45261419

IUPAC[1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1.Cl
InChIInChI=1S/C17H17N3OS.ClH/c1-19-6-8-20(9-7-19)17(21)14-10-13-12-4-2-3-5-15(12)22-16(13)11-18-14;/h2-5,10-11H,6-9H2,1H3;1H
InChIKeyDPGROBCRGGWLRV-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.26
Rot. Bonds1

About [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride

[1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 45261419) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID45261419
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name[1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1.Cl
InChIInChI=1S/C17H17N3OS.ClH/c1-19-6-8-20(9-7-19)17(21)14-10-13-12-4-2-3-5-15(12)22-16(13)11-18-14;/h2-5,10-11H,6-9H2,1H3;1H
InChIKeyDPGROBCRGGWLRV-UHFFFAOYSA-N
XLogP3.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
ZY63TG2Nhl
CID 24883191
6-methyl-N-[1-[[(2S)-1-phenyl-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 46237171
6-methyl-N-[1-[[(2S)-1-phenyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 46237300
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]thieno[2,3-c]pyridine-5-carboxamide
CID 11508767
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-phenylthiophen-2-yl)methanone
CID 42606107
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 42606218
Benzo[b]thiophen-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606337
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(4,5,6,7-tetrahydrobenzo[c]thiophen-1-yl)methanone
CID 42606457
(3-Phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 54583878
N-[4-(1-benzoylpiperidin-4-yl)butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983109

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride (CID 45261419) is [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride is CN1CCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1.Cl.
What is the InChIKey of [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is DPGROBCRGGWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS.ClH/c1-19-6-8-20(9-7-19)17(21)14-10-13-12-4-2-3-5-15(12)22-16(13)11-18-14;/h2-5,10-11H,6-9H2,1H3;1H.
What are the key properties of [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
[1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-c]pyridin-3-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 45261419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).